Adenosine, N-acetyl-2-[(3,3,3-trifluoropropyl)thio]-, 2',3',5'-triacetate

Base Information

• Chemical Name: Adenosine, N-acetyl-2-[(3,3,3-trifluoropropyl)thio]-, 2',3',5'-triacetate
• CAS No.: 163706-52-3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID901148482
• Mol file: 163706-52-3.mol

Synonyms:163706-52-3;Adenosine, N-acetyl-2-[(3,3,3-trifluoropropyl)thio]-, 2',3',5'-triacetate;[(2R,3R,4R,5R)-5-[6-acetamido-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]-3,4-diacetyloxyoxolan-2-yl]methyl acetate;SCHEMBL8780650;VTLARMXNHDPRLY-NVQRDWNXSA-N;DTXSID901148482;(2R,3R,4R,5R)-2-(6-acetamido-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)-5-(acetoxymethyl)tetrahydrofuran-3,4-diyl diacetate

Chemical Property of Adenosine, N-acetyl-2-[(3,3,3-trifluoropropyl)thio]-, 2',3',5'-triacetate

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 12
• Exact Mass: 563.12976840
• Heavy Atom Count: 38
• Complexity: 899

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

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Useful:

• Canonical SMILES: CC(=O)NC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C
• Isomeric SMILES: CC(=O)NC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C

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